SCHEMBL27260554

SCHEMBL27260554

O=C(CC1CCCCCC1)NCCOS

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
KEAP1 Q14145 3/20 0.49
NFE2L2 Q16236 3/20 0.49
HPGD P15428 3/20 0.49
EPHX1 P07099 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
RECQL P46063 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL629341 0.83 ALDH1A1 (0.51) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL27294619 0.81 EPHX2 (0.35) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL24146308 0.80 EPHX2 (0.49) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL25567742 0.79 EPHX2 (0.48) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL24146116 0.79 EPHX2 (0.48) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL7724890 0.78 EPHX2 (0.57) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL15680573 0.77 KEAP1 (0.66) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL8848512 0.77 EPHX2 (0.55) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL628894 0.77 EPHX2 (0.55) EPHX2KEAP1NFE2L2HPGDEPHX1
SCHEMBL13527977 0.76 EPHX2 (0.54) EPHX2KEAP1NFE2L2HPGDEPHX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023242597-A1 BIFUNCTIONAL MOLECULES FOR TARGETED PROTEIN DEGRADATION AMPHISTA THERAPEUTICS LIMITED (GB) 2023-12-21 WO disclosed